(2S)-3-cyclohexyl-2-(propylamino)propanoic acid

C12H23NO2 — CID 175818712

IUPAC(2S)-3-cyclohexyl-2-(propylamino)propanoic acid
SMILESCCCN[C@@H](CC1CCCCC1)C(=O)O
InChIInChI=1S/C12H23NO2/c1-2-8-13-11(12(14)15)9-10-6-4-3-5-7-10/h10-11,13H,2-9H2,1H3,(H,14,15)/t11-/m0/s1
InChIKeyFZVJTTBYQYOPAI-NSHDSACASA-N
MW213.32 g/mol
LogP2.41
Rot. Bonds6

About (2S)-3-cyclohexyl-2-(propylamino)propanoic acid

(2S)-3-cyclohexyl-2-(propylamino)propanoic acid (PubChem CID 175818712) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is (2S)-3-cyclohexyl-2-(propylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-3-cyclohexyl-2-(propylamino)propanoic acid
PubChem CID175818712
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name(2S)-3-cyclohexyl-2-(propylamino)propanoic acid
SMILESCCCN[C@@H](CC1CCCCC1)C(=O)O
InChIInChI=1S/C12H23NO2/c1-2-8-13-11(12(14)15)9-10-6-4-3-5-7-10/h10-11,13H,2-9H2,1H3,(H,14,15)/t11-/m0/s1
InChIKeyFZVJTTBYQYOPAI-NSHDSACASA-N
XLogP2.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

propyl 3-cyclohexyl-2-[2-[(3-cyclohexyl-1-oxo-1-propoxypropan-2-yl)amino]ethylamino]propanoate
CID 46871694
(2S)-3-cyclohexyl-2-(iodoamino)propanoic acid
CID 142921806
2-(2-cyclohexylethylamino)hexanoic acid
CID 103240091
(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 2755927
3-[cyclobutylmethyl(methyl)amino]-2-(propylamino)propanoic acid
CID 62861378
(2R)-3-cyclohexyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoic acid
CID 68551431
1-cyclohexyl-N-propylpentan-2-amine
CID 63413972
(2R)-2-(2-cyclohexylethylamino)-3-hydroxypropanoic acid
CID 150887709
(2R)-2-[(3-cyclopentyl-2-methylpropanoyl)amino]propanoic acid
CID 103791111
(2R)-3-cyclohexyl-2-(propan-2-ylsulfonylamino)propanoic acid
CID 114264495
(2S)-2-(2-cyclohexylethylamino)-4-methylpentanoic acid
CID 122037122
(2S)-3-hydroxy-2-(propylamino)propanoic acid
CID 55287062

Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclohexyl-2-(propylamino)propanoic acid?
The IUPAC name of (2S)-3-cyclohexyl-2-(propylamino)propanoic acid (CID 175818712) is (2S)-3-cyclohexyl-2-(propylamino)propanoic acid.
What is the SMILES notation for (2S)-3-cyclohexyl-2-(propylamino)propanoic acid?
The canonical SMILES for (2S)-3-cyclohexyl-2-(propylamino)propanoic acid is CCCN[C@@H](CC1CCCCC1)C(=O)O.
What is the InChIKey of (2S)-3-cyclohexyl-2-(propylamino)propanoic acid?
The InChIKey is FZVJTTBYQYOPAI-NSHDSACASA-N. The full InChI is InChI=1S/C12H23NO2/c1-2-8-13-11(12(14)15)9-10-6-4-3-5-7-10/h10-11,13H,2-9H2,1H3,(H,14,15)/t11-/m0/s1.
What are the key properties of (2S)-3-cyclohexyl-2-(propylamino)propanoic acid?
(2S)-3-cyclohexyl-2-(propylamino)propanoic acid has a molecular weight of 213.32 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclohexyl-2-(propylamino)propanoic acid is sourced from PubChem (CID 175818712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).